alumane;2-chloropropanoic acid

C3H8AlClO2 — CID 173230355

IUPACalumane;2-chloropropanoic acid
SMILESCC(Cl)C(=O)O.[AlH3]
InChIInChI=1S/C3H5ClO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;
InChIKeyPIYYFCBHEVMZKP-UHFFFAOYSA-N
MW138.53 g/mol
LogP-0.49
Rot. Bonds1

About alumane;2-chloropropanoic acid

alumane;2-chloropropanoic acid (PubChem CID 173230355) has the molecular formula C3H8AlClO2 and a molecular weight of 138.53 g/mol. Its IUPAC name is alumane;2-chloropropanoic acid.

Molecular Properties

Compound Namealumane;2-chloropropanoic acid
PubChem CID173230355
Molecular FormulaC3H8AlClO2
Molecular Weight138.53 g/mol
Exact Mass138.00
IUPAC Namealumane;2-chloropropanoic acid
SMILESCC(Cl)C(=O)O.[AlH3]
InChIInChI=1S/C3H5ClO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;
InChIKeyPIYYFCBHEVMZKP-UHFFFAOYSA-N
XLogP-0.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.53
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

alumane;2-methylpropanoic acid
CID 173068323
2,3-dichlorobutanoic acid
CID 534513
2-methylpropanoic acid
CID 173073412
2-chloropropanoyl(methyl)azanium
CID 176676973
alumane;2-fluoropropanoic acid
CID 173229818
2-chloropropanoyl iodide
CID 19748093
3-chloro-2-sulfanylbutanoic acid
CID 91193887
2-chloro-4-methyl-3-oxopentanoic acid
CID 18673001
3-chloro-2-iodobutanoic acid
CID 131861443
azane;2-methylpropanoic acid;hydrate
CID 161320294
2-hydroxypropanoic acid
CID 87075455
cerium;tris(2-methylpropanoic acid)
CID 153360547

Frequently Asked Questions

What is the IUPAC name of alumane;2-chloropropanoic acid?
The IUPAC name of alumane;2-chloropropanoic acid (CID 173230355) is alumane;2-chloropropanoic acid.
What is the SMILES notation for alumane;2-chloropropanoic acid?
The canonical SMILES for alumane;2-chloropropanoic acid is CC(Cl)C(=O)O.[AlH3].
What is the InChIKey of alumane;2-chloropropanoic acid?
The InChIKey is PIYYFCBHEVMZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO2.Al.3H/c1-2(4)3(5)6;;;;/h2H,1H3,(H,5,6);;;;.
What are the key properties of alumane;2-chloropropanoic acid?
alumane;2-chloropropanoic acid has a molecular weight of 138.53 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-chloropropanoic acid is sourced from PubChem (CID 173230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).